[(2S)-1-(10-phenylanthracen-9-yl)propan-2-yl] 4,4-dimethylpiperazin-4-ium-1-carboxylate iodide

Systemtic Name: [(2S)-1-(10-phenylanthracen-9-yl)propan-2-yl] 4,4-dimethylpiperazin-4-ium-1-carboxylate iodide Openeye Name: [(1S)-1-methyl-2-(10-phenyl-9-anthryl)ethyl] 4,4-dimethylpiperazin-4-ium-1-carboxylate iodide CAS Name: 4,4-dimethyl-1-piperazin-4-iumcarboxylic acid [(2S)-1-(10-phenyl-9-anthracenyl)propan-2-yl] ester iodide IUPAC Name: [(2S)-1-(10-phenylanthracen-9-yl)propan-2-yl] 4,4-dimethylpiperazin-4-ium-1-carboxylate iodide Traditional Name: 4,4-dimethylpiperazin-4-ium-1-carboxylic acid [(1S)-1-methyl-2-(10-phenyl-9-anthryl)ethyl] ester iodide Formula: C30H33IN2O2 MolecularWeight: 580.49969

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=C2C=CC=CC2=C(C3=CC=CC=C31)C4=CC=CC=C4)OC(=O)N5CC[N+](CC5)(C)C.[I-]

Isomeric SMILES

C[C@@H](CC1=C2C=CC=CC2=C(C3=CC=CC=C31)C4=CC=CC=C4)OC(=O)N5CC[N+](CC5)(C)C.[I-]

InChI

InChI=1S/C30H33N2O2.HI/c1-22(34-30(33)31-17-19-32(2,3)20-18-31)21-28-24-13-7-9-15-26(24)29(23-11-5-4-6-12-23)27-16-10-8-14-25(27)28;/h4-16,22H,17-21H2,1-3H3;1H/q+1;/p-1/t22-;/m0./s1